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Ligand · JL1

JL1 · 2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid

JL1, 2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid (C13 H11 N O2 S, 245.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
JL1
Formula
C13 H11 N O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JL1 in 2 structures; the first of them:

  • 5QER · PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with… · JL1 A401 · binds ILE145, GLN157, LEU158, GLU159, THR168, ARG169, GLU170
  • 5QER · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · JL1 A401 · binds ILE145, GLN157, THR168, ARG169, GLU170

Residues it binds most

GLN 4, ARG 4, ILE 4, THR 4, GLU 2, ALA 2, ASP 2, GLY 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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